(8S,8aS)-6-azanylidene-2-methyl-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aS)-6-azanylidene-2-methyl-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-imino-2-methyl-8-(3-pyridyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-imino-2-methyl-8-(3-pyridinyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-imino-2-methyl-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-imino-2-methyl-8-(3-pyridyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C18H16N6 MolecularWeight: 316.35984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=N)C2C#N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

CN1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C18H16N6/c1-24-6-4-13-14(7-19)17(22)18(10-20,11-21)16(15(13)9-24)12-3-2-5-23-8-12/h2-5,8,14-16,22H,6,9H2,1H3/t14?,15-,16-/m1/s1